3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide

C11H11ClN4O — CID 64519520

IUPAC3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ncc[nH]2)ccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-8-2-1-7(5-9(8)13)11(17)16-6-10-14-3-4-15-10/h1-5H,6,13H2,(H,14,15)(H,16,17)
InChIKeyVSOIRBSETOHISF-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.58
Rot. Bonds3

About 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide

3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 64519520) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
PubChem CID64519520
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
SMILESNc1cc(C(=O)NCc2ncc[nH]2)ccc1Cl
InChIInChI=1S/C11H11ClN4O/c12-8-2-1-7(5-9(8)13)11(17)16-6-10-14-3-4-15-10/h1-5H,6,13H2,(H,14,15)(H,16,17)
InChIKeyVSOIRBSETOHISF-UHFFFAOYSA-N
XLogP1.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 82832444
6-amino-N-(1H-imidazol-2-ylmethyl)pyridine-3-carboxamide
CID 64525972
4-amino-2-chloro-N-(1H-imidazol-2-ylmethyl)benzamide
CID 64517590
4-amino-3-chloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64525774
N-(1H-imidazol-2-ylmethyl)-2-(methylamino)pyridine-4-carboxamide
CID 64523208
3-(N'-hydroxycarbamimidoyl)-N-(1H-imidazol-2-ylmethyl)benzamide
CID 77046331
1-(3,4-dichlorophenyl)-3-(1H-imidazol-2-ylmethyl)urea
CID 64531467
N-(1H-imidazol-2-ylmethyl)pyrimidine-5-carboxamide
CID 104628370
3,4-dichloro-N-(1H-imidazol-2-ylmethyl)-5-nitrobenzamide
CID 64532271
3-amino-4-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 16790226
3-amino-N-(1H-imidazol-2-ylmethyl)-2-methylbenzamide
CID 64518946
3-amino-4-chloro-N-(3-methylbut-2-enyl)benzamide
CID 106179688

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide (CID 64519520) is 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide is Nc1cc(C(=O)NCc2ncc[nH]2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is VSOIRBSETOHISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-8-2-1-7(5-9(8)13)11(17)16-6-10-14-3-4-15-10/h1-5H,6,13H2,(H,14,15)(H,16,17).
What are the key properties of 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide?
3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 250.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 64519520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).